UCSF

ZINC02223990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.70 15.71 -14.33 0 4 0 43 429.321 3
Mid Mid (pH 6-8) 5.71 17.07 -49.27 2 4 1 47 430.329 3
Lo Low (pH 4.5-6) 5.70 16.06 -39.23 1 4 1 45 430.329 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )